Analysis of vibrational modes from alpha-synuclein: a theoretical model using density functional theory and Raman spectroscopy

  • Fabiola León-BejaranoEmail author
  • Miguel G. Ramírez-Elías
  • Martín O. Méndez
  • Ricardo A. Guirado-López
  • Alfonso Alba
  • Ildelfonso Rodríguez-Leyva
Original Paper


Parkinson’s disease is a neurodegenerative pathology difficult to diagnose. Researches have confirmed the presences of death cells in the brain produced by the modification of a protein called alpha-synuclein synuclein in people with Parkinson disease. Currently, a great amount of research is conducted to identify its biomarkers for early diagnostics. Recently, a studio found differences between the alpha- synuclein of the skin from Parkinson’s disease and normal patients. In this paper, we use Raman spectroscopy through a numerical model to simulate the vibrational modes of well-defined finite clusters of alpha-synuclein in normal and pathological state, using the Gaussian09 software. The results of the model in the range of x − y cm−1 are in good agreement with the experimental Raman spectra acquired from human skin with alpha-synuclein in the normal and pathological state.


Raman spectroscopy Parkinson’s disease Density Functional theory Alpha-synuclein 



Research partially supported by grant 414,995 from CONACYT, by FOSEC SEP CB2017 - A1-S-45611, and by FAI-UASLP C18-FAI-05-53.53.

Compliance with ethical standards

Conflict of interest

The authors have no conflicts of interest to disclose.

Ethical approval

This article does not contain any studies with human participants or animals performed by any of the authors.

Informed consent

There is no informed consent.


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Copyright information

© IUPESM and Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  • Fabiola León-Bejarano
    • 1
    Email author
  • Miguel G. Ramírez-Elías
    • 1
  • Martín O. Méndez
    • 2
  • Ricardo A. Guirado-López
    • 3
  • Alfonso Alba
    • 2
  • Ildelfonso Rodríguez-Leyva
    • 4
  1. 1.Facultad de CienciasUniversidad Autónoma de San Luis PotosíSan Luis PotosíMexico
  2. 2.Laboratorio Nacional CI3M & CICSaBUniversidad Autónoma de San Luis PotosíSan Luis PotosíMexico
  3. 3.Instituto de FísicaUniversidad Autónoma de San Luis PotosíSan Luis PotosíMexico
  4. 4.Facultad de MedicinaUniversidad Autónoma de San Luis PotosíSan Luis PotosíMexico

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